2-(4-cyano-2,3-difluoroanilino)ethylurea

C10H10F2N4O — CID 107934087

IUPAC2-(4-cyano-2,3-difluoroanilino)ethylurea
SMILESN#Cc1ccc(NCCNC(N)=O)c(F)c1F
InChIInChI=1S/C10H10F2N4O/c11-8-6(5-13)1-2-7(9(8)12)15-3-4-16-10(14)17/h1-2,15H,3-4H2,(H3,14,16,17)
InChIKeyOSQANEVRBJEJNH-UHFFFAOYSA-N
MW240.21 g/mol
LogP0.92
Rot. Bonds4

About 2-(4-cyano-2,3-difluoroanilino)ethylurea

2-(4-cyano-2,3-difluoroanilino)ethylurea (PubChem CID 107934087) has the molecular formula C10H10F2N4O and a molecular weight of 240.21 g/mol. Its IUPAC name is 2-(4-cyano-2,3-difluoroanilino)ethylurea.

Molecular Properties

Compound Name2-(4-cyano-2,3-difluoroanilino)ethylurea
PubChem CID107934087
Molecular FormulaC10H10F2N4O
Molecular Weight240.21 g/mol
Exact Mass240.08
IUPAC Name2-(4-cyano-2,3-difluoroanilino)ethylurea
SMILESN#Cc1ccc(NCCNC(N)=O)c(F)c1F
InChIInChI=1S/C10H10F2N4O/c11-8-6(5-13)1-2-7(9(8)12)15-3-4-16-10(14)17/h1-2,15H,3-4H2,(H3,14,16,17)
InChIKeyOSQANEVRBJEJNH-UHFFFAOYSA-N
XLogP0.92
TPSA90.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.21
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-cyanoanilino)ethylurea
CID 83111551
2-(3-amino-4-cyanoanilino)ethylurea
CID 83116890
2,3-difluoro-4-(6-hydroxyhexylamino)benzonitrile
CID 107934321
2-[(4-cyano-3-pyridinyl)amino]ethylurea
CID 83092415
ethyl 2-(4-cyano-2,3-difluoroanilino)acetate
CID 107933408
2-(4-amino-3-cyanoanilino)ethylurea
CID 83115999
2-(4-cyano-2,3-difluoroanilino)-N-methylethanesulfonamide
CID 114175359
3-[2-(3-bromo-4-cyano-2-fluoroanilino)ethyl]-1,1-dimethylurea
CID 107533953
2,3-difluoro-4-(2-phenylethylamino)benzonitrile
CID 107933230
N-butan-2-yl-3-(4-cyano-2,3-difluoroanilino)propanamide
CID 107933660
4-[2-(3,5-difluorophenyl)ethylamino]-2,3-difluorobenzonitrile
CID 107933737
3-(4-cyano-2,3-difluoroanilino)butanamide
CID 107934186

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyano-2,3-difluoroanilino)ethylurea?
The IUPAC name of 2-(4-cyano-2,3-difluoroanilino)ethylurea (CID 107934087) is 2-(4-cyano-2,3-difluoroanilino)ethylurea.
What is the SMILES notation for 2-(4-cyano-2,3-difluoroanilino)ethylurea?
The canonical SMILES for 2-(4-cyano-2,3-difluoroanilino)ethylurea is N#Cc1ccc(NCCNC(N)=O)c(F)c1F.
What is the InChIKey of 2-(4-cyano-2,3-difluoroanilino)ethylurea?
The InChIKey is OSQANEVRBJEJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N4O/c11-8-6(5-13)1-2-7(9(8)12)15-3-4-16-10(14)17/h1-2,15H,3-4H2,(H3,14,16,17).
What are the key properties of 2-(4-cyano-2,3-difluoroanilino)ethylurea?
2-(4-cyano-2,3-difluoroanilino)ethylurea has a molecular weight of 240.21 g/mol, XLogP of 0.92, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyano-2,3-difluoroanilino)ethylurea is sourced from PubChem (CID 107934087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).